SCHEMBL7964513

SCHEMBL7964513

CCC(C)C(C)(NC(=O)C(C)c1ccc(C)cc1OC)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.43
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2C9 P11712 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7957914 0.91 TAS1R3 (0.44) LPAR1KDM4ENPC1RAB9APOLB
SCHEMBL7960040 0.83 LPAR1 (0.48) LPAR1KDM4ENPC1RAB9ACYP2C9
SCHEMBL8701833 0.82 LPAR1 (0.46) LPAR1KDM4ENPC1RAB9AALDH1A1
SCHEMBL7950132 0.82 GPR88 (0.39) GPR88
SCHEMBL7958367 0.82 LPAR1 (0.43) LPAR1KDM4ENPC1RAB9ACYP2C9
SCHEMBL7960940 0.78 LPAR1 (0.48) LPAR1NPC1RAB9A
SCHEMBL27387187 0.78 TAS1R3 (0.43) LPAR1KDM4ECYP2C9POLBTDP1
SCHEMBL7957895 0.78 LPAR1 (0.46) LPAR1KDM4ENPC1RAB9A
SCHEMBL7959929 0.77 LPAR1 (0.43) LPAR1KDM4ENPC1RAB9ATDP1
SCHEMBL6474679 0.75 L3MBTL1 (0.42) LPAR1KDM4EPOLBALDH1A1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6172255-B1 INSECTICIDES; MITICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5830826-A Alkoxy-alkyl-substituted 1H-3-aryl-pyrrolidine-2, 4-diones used as herbicicides and pesticides BAYER AKTIENGESELLSCHAFT (DE) 1998-11-03 US disclosed